1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide

C14H26N2O — CID 80598318

IUPAC1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
SMILESCC1(C)CCCCC1NC(=O)C1(CN)CCC1
InChIInChI=1S/C14H26N2O/c1-13(2)7-4-3-6-11(13)16-12(17)14(10-15)8-5-9-14/h11H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyFXTSTCJDOWNWNS-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.20
Rot. Bonds3

About 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide (PubChem CID 80598318) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
PubChem CID80598318
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
SMILESCC1(C)CCCCC1NC(=O)C1(CN)CCC1
InChIInChI=1S/C14H26N2O/c1-13(2)7-4-3-6-11(13)16-12(17)14(10-15)8-5-9-14/h11H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyFXTSTCJDOWNWNS-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 80598202
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide
CID 80598201
4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
CID 79870065
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide
CID 115447542
1-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119819128
6-amino-N-(2,2-dimethylcyclohexyl)hexanamide
CID 79878465
2-amino-N-(2,2-dimethylcyclohexyl)-1-methylcyclopentane-1-carboxamide
CID 82768367
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide (CID 80598318) is 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide is CC1(C)CCCCC1NC(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The InChIKey is FXTSTCJDOWNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)7-4-3-6-11(13)16-12(17)14(10-15)8-5-9-14/h11H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80598318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).